Dataset

3,3-DIETHOXYPROPIOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002258 contains the MS mass spectrum of 3,3-DIETHOXYPROPIOPHENONE with the InChIkey DTLKIEUIPAYFLA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18O3/c1-3-15-13(16-4-2)10-12(14)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
SMILES CCOC(OCC)CC(=O)c(c1)cccc1
InChI Key DTLKIEUIPAYFLA-UHFFFAOYSA-N
Molecular Formula C13H18O3
Exact Mass 222.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002258
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MetadataPublished 2016-01-19
Related Molecule
  • 3,3-diethoxy-1-phenylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID10500268 EPA CompTox Dashboard
    J46.619K Nikkaji
    31742 eMolecules
    12492605 PubChem
    36234-10-3 ACToR
    ZINC000022114834 ZINC
    SCHEMBL9155651 SureChEMBL
    The data in this table is sourced from UniChem at EBI.